Simulation of POPC:POPE 1:1 membrane, model by Maciejewski and Rog

A POPC:POPE 1:1 bilayer with 64 lipids per leaflet is simulated for 300 ns using the model by Maciejewski and Rog [1,2] and Gromacs simulation engine version 2019.4. The trajectory (.xtc) is saved every 100ps. The simulation parameters (.mdp), the energy file (.edr), the continue point to extend the simulation (.cpt), the run input parameters (.tpr), and the final structure (.gro) are also given. The lipid topologies (.itp) are attached, and they are obtained from the authors. Note that unlike in the original paper [2], buffered Verlet lists are used for efficiency.

[1] DOI: 10.1016/j.dib.2016.03.067

[2] DOI: 10.1021/jp5016627